| SpectraBase Compound ID | 74yfjhhZwE1 |
|---|---|
| InChI | InChI=1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3 |
| InChIKey | PXNRCZQMDSDSHJ-UHFFFAOYSA-N |
| Mol Weight | 135.21 g/mol |
| Molecular Formula | C9H13N |
| Exact Mass | 135.104799 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 60SPtFvbtal |
|---|---|
| Name | 3,4-Dimethylbenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.104799423 u |
| Formula | C9H13N |
| InChI | InChI=1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3 |
| InChIKey | PXNRCZQMDSDSHJ-UHFFFAOYSA-N |
| Molecular Weight | 135.210 g/mol |
| SMILES | NCC1=CC(C)=C(C)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.899001 |